Geometry & MOs

Info

ID:	177321
PubChem CID:	76167301
Reduced:	O2N5C18H21 (1)
Stoich.:	A2B5C18D21 (1)
Weight, g/mol:	339.169525
ΔH_f, kcal/mol:	-25.5
Dipole, Da:	4.1
IP(EA), eV:	-9.53(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-hydroxy-3-methylbutan-2-yl)-2-(6-methylpyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)C2=CN=C3C(=N2)C(=CN3)C(=O)NC(C)C(C)(C)O

DOS

IR

Vibrations